N-Formyl-3-demethylthiocolchicine
TL;DR: N-Formyl-3-demethylthiocolchicine (CAS 113092-25-4) is a chemical compound with molecular formula C20H21NO5S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)formamide
Also Known As: N-Formyl-3-demethylthiocolchicine, N-Deacetyl-N-formyl-3-demethylthiocolchicine, N-(3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)formamide, (S)-N-(3-Hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)formamide, 3-Hydroxy-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-ylformamide #
| Molecular Formula | C20H21NO5S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.11404 |
| Heavy Atoms | 27 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 113092-25-4 |
|---|---|
| SMILES | COC1=C(C=C2CCC(C3=CC(=O)C(=CC=C3C2=C1OC)SC)NC=O)O |
| InChIKey | SAZPMYMWVSJZGB-UHFFFAOYSA-N |
Product Overview
N-Formyl-3-demethylthiocolchicine (CAS 113092-25-4), with molecular formula C20H21NO5S and molecular weight 387.11 g/mol. IUPAC: N-(3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)formamide.
Chemical Property Profile of N-Formyl-3-demethylthiocolchicine
Property Insights of N-Formyl-3-demethylthiocolchicine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Formyl-3-demethylthiocolchicine. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Formyl-3-demethylthiocolchicine. Following Lipinski's Rule of Five, N-Formyl-3-demethylthiocolchicine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Formyl-3-demethylthiocolchicine?
The CAS number of N-Formyl-3-demethylthiocolchicine is 113092-25-4.
What is the molecular formula of N-Formyl-3-demethylthiocolchicine?
The molecular formula of N-Formyl-3-demethylthiocolchicine is C20H21NO5S.
What is the molecular weight of N-Formyl-3-demethylthiocolchicine?
The molecular weight of N-Formyl-3-demethylthiocolchicine is 387.11 g/mol.
Where can I buy N-Formyl-3-demethylthiocolchicine?
You can request a quote for N-Formyl-3-demethylthiocolchicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Formyl-3-demethylthiocolchicine?
Yes, KEHONG BIO provides custom synthesis services for N-Formyl-3-demethylthiocolchicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.